Undecaprenol
Basic information
- CAS
15575-14-1- Standard SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO- InChIKey
TXKJNHBRVLCYFX-RDQGWRCRSA-N- Molecular formula
- C55H90O
- Average molar mass
- 767.3 g/mol
- Monoisotopic mass
- 766.69916749
Overview
All-trans-undecaprenol is a long-chain primary fatty alcohol that is the all-trans-isomer of undecaprenol. It is a member of undecaprenols and a long-chain primary fatty alcohol.
Names & identifiers
- Preferred name
- Undecaprenol
- IUPAC
- (2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-ol
- English name
- UNDECAPRENOL FROM AILANTHUS ALTISSIMA
- Molecular formula
- C55H90O
- Molecular weight
- 767.3
Names & synonyms
undecaprenol(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-ol3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42-undecaen-1-ol3,7,11,15,19,23,27,31,35,39,43-Undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaun cecaen-1-olRefChem:193098630-882-815575-14-1Ficaprenolall-trans-undecaprenolC55 Prenol3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-ol50426-50-1
Show more names
Betulaprenol-113,7,11,15,19,23,27,31,35,39,43-Undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecen-1-ol2,6,10,14,18,22,26,30,34,38,42-Tetratetracontaundecaen-1-ol, 3,7,11,15,19,23,27,31,35,39,43-undecamethyl-
Moraprenol 11Ficaprel 11UNDECAPRENOL FROM AILANTHUS ALTISSIMASCHEMBL788109CHEBI:16591TXKJNHBRVLCYFX-RDQGWRCRSA-NLMPR03010007TYD-04062
Properties
Computed structural properties
- XLogP
- 19.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 31
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,410
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Polyprenols [PR03] -> Bactoprenols [PR0301]
Physicochemical properties
- Boiling point
- 777 · 777.0±29.0 °C(Predicted)
- Density
- 0.89 · 0.890±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 14.69 · 14.69±0.10(Predicted)
- form
- powder
- UNSPSC Code
- 12352211 · 12352211
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H302-H332-H335-H312-H350
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501
- target organs
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- risk_code
- 45-46-20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07
- hazard_code
- T
- safety_code
- 53-23-26-36/37/39-45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H302-H332-H335-H312-H350
- Hazard Classifications
- Acute Tox. 4 OralCarc. 1BEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Additional notes
DefinitionChEBI: All-trans-undecaprenol is a long-chain primary fatty alcohol that is the all-trans-isomer of undecaprenol. It is a member of undecaprenols and a long-chain primary fatty alcohol.
Related reactions
4 records
Compound notes
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